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3BX5
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BU of 3bx5 by Molmil
P38 alpha map kinase complexed with BMS-640994
Descriptor: Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
Authors:Sack, J.S.
Deposit date:2008-01-11
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
6IDX
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BU of 6idx by Molmil
Crystal Structure of BAI1/ELMO2 complex
Descriptor: Adhesion G protein-coupled receptor B1, Engulfment and cell motility protein 2
Authors:Weng, Z.F, Lin, L, Zhu, J.W, Zhang, R.G.
Deposit date:2018-09-11
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019
7N7O
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BU of 7n7o by Molmil
Crystal Structure of PI5P4KIIAlpha complex with Palbociclib
Descriptor: 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION
Authors:Chen, S, Ha, Y.
Deposit date:2021-06-10
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N6Z
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BU of 7n6z by Molmil
Crystal Structure of PI5P4KIIAlpha
Descriptor: Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION
Authors:Chen, S, Ha, Y.
Deposit date:2021-06-09
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N7J
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BU of 7n7j by Molmil
Crystal Structure of PI5P4KIIAlpha complex with AMPPNP
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, ...
Authors:Chen, S, Ha, Y.
Deposit date:2021-06-10
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N7N
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BU of 7n7n by Molmil
Crystal Structure of PI5P4KIIAlpha complex with Volasertib
Descriptor: N-{trans-4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-5-methyl-8-(1-methylethyl)-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION
Authors:Chen, S, Ha, Y.
Deposit date:2021-06-10
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N81
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BU of 7n81 by Molmil
Crystal Structure of PI5P4KIIBeta complex with CC260
Descriptor: (7R)-8-cyclopentyl-7-(cyclopentylmethyl)-2-[(3,5-dichloro-4-hydroxyphenyl)amino]-5-methyl-7,8-dihydropteridin-6(5H)-one, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Chen, S, Ha, Y.
Deposit date:2021-06-11
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N7K
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BU of 7n7k by Molmil
Crystal Structure of PI5P4KIIAlpha complex with AMPPNP
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, ...
Authors:Chen, S, Ha, Y.
Deposit date:2021-06-10
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N7L
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BU of 7n7l by Molmil
Crystal Structure of PI5P4KIIAlpha complex with BI-D1870
Descriptor: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION
Authors:Chen, S, Ha, Y.
Deposit date:2021-06-10
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N80
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BU of 7n80 by Molmil
Crystal Structure of PI5P4KIIBeta
Descriptor: Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
Authors:Chen, S, Ha, Y.
Deposit date:2021-06-11
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N7M
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BU of 7n7m by Molmil
Crystal Structure of PI5P4KIIAlpha complex with BI-2536
Descriptor: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION
Authors:Chen, S, Ha, Y.
Deposit date:2021-06-10
Release date:2021-06-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
7N71
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BU of 7n71 by Molmil
Crystal Structure of PI5P4KIIAlpha
Descriptor: Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, SULFATE ION
Authors:Chen, S, Ha, Y.
Deposit date:2021-06-09
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pharmacological inhibition of PI5P4K alpha / beta disrupts cell energy metabolism and selectively kills p53-null tumor cells.
Proc.Natl.Acad.Sci.USA, 118, 2021
5C45
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BU of 5c45 by Molmil
Selective Small Molecule Inhibition of the FMN Riboswitch
Descriptor: (6M)-2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2015-06-17
Release date:2015-10-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Selective small-molecule inhibition of an RNA structural element.
Nature, 526, 2015
1M75
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BU of 1m75 by Molmil
Crystal Structure of the N208S Mutant of L-3-Hydroxyacyl-COA Dehydrogenase in Complex with NAD and Acetoacetyl-COA
Descriptor: 3-HYDROXYACYL-COA DEHYDROGENASE, ACETOACETYL-COENZYME A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Barycki, J.J, Banaszak, L.J.
Deposit date:2002-07-18
Release date:2004-02-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the N208S Mutant of L-3-Hydroxyacyl-COA Dehydrogenase in Complex with NAD and Acetoacetyl-COA
To be Published
1M76
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BU of 1m76 by Molmil
Crystal Structure of the S137C Mutant of L-3-HYDROXYACYL-COA Dehydrogenase in Complex with NAD and Acetoacetyl-COA
Descriptor: 3-HYDROXYACYL-COA DEHYDROGENASE, ACETOACETYL-COENZYME A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Barycki, J.J, Banaszak, L.J.
Deposit date:2002-07-18
Release date:2004-02-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of the S137C Mutant of L-3-Hydroxyacyl-COA Dehydrogenase in Complex with NAD and Acetoacetyl-COA
To be Published
4NJ3
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BU of 4nj3 by Molmil
Modulating the interaction between CDK2 and Cyclin A with a Quinoline-based inhibitor
Descriptor: 6-(3-chlorophenyl)-2-{[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid, Cyclin-dependent kinase 2
Authors:Fischmann, T.O, Hruza, A.W.
Deposit date:2013-11-08
Release date:2013-11-27
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor.
Bioorg.Med.Chem.Lett., 24, 2014
2ERF
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BU of 2erf by Molmil
Crystal Structure of the Thrombospondin-1 N-terminal Domain at 1.45A Resolution
Descriptor: Thrombospondin-1
Authors:Tan, K, Wang, J, Lawler, J.
Deposit date:2005-10-24
Release date:2006-01-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structures of the thrombospondin-1 N-terminal domain and its complex with a synthetic pentameric heparin.
Structure, 14, 2006
4EF4
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BU of 4ef4 by Molmil
Crystal structure of STING CTD complex with c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Transmembrane protein 173
Authors:Ouyang, S, Ru, H, Shaw, N, Jiang, Y, Niu, F, Zhu, Y, Qiu, W, Li, Y, Liu, Z.-J.
Deposit date:2012-03-29
Release date:2012-05-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.147 Å)
Cite:Structural analysis of the STING adaptor protein reveals a hydrophobic dimer interface and mode of cyclic di-GMP binding
Immunity, 36, 2012
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
Authors:Orth, P.
Deposit date:2015-01-13
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
7YSG
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BU of 7ysg by Molmil
Cryo-EM structure of human FcmR bound to sIgM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fas apoptotic inhibitory molecule 3, ...
Authors:Li, Y, Shen, H, Xiao, J.
Deposit date:2022-08-12
Release date:2023-02-01
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
7YTD
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BU of 7ytd by Molmil
Cryo-EM structure of four human FcmR bound to IgM-Fc/J
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fas apoptotic inhibitory molecule 3, Immunoglobulin J chain, ...
Authors:Li, Y, Shen, H, Xiao, J.
Deposit date:2022-08-14
Release date:2023-02-01
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
7YTC
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BU of 7ytc by Molmil
Cryo-EM structure of human FcmR bound to IgM-Fc/J
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fas apoptotic inhibitory molecule 3, Immunoglobulin J chain, ...
Authors:Li, Y, Shen, H, Xiao, J.
Deposit date:2022-08-14
Release date:2023-02-01
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
7YTE
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BU of 7yte by Molmil
crystal structure of human FcmR-D1 bound to IgM C4-domain
Descriptor: Fas apoptotic inhibitory molecule 3, Ig mu chain C region secreted form
Authors:Li, Y, Shen, H, Xiao, J.
Deposit date:2022-08-14
Release date:2023-02-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Immunoglobulin M perception by Fc mu R.
Nature, 615, 2023
7T9U
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BU of 7t9u by Molmil
Crystal structure of hSTING with an agonist (SHR169224)
Descriptor: (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
Authors:Chowdhury, R, Miller, M.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
7T9V
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BU of 7t9v by Molmil
Crystal structure of hSTING with the agonist, SHR171032
Descriptor: (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
Authors:Chowdhury, R, Miller, M.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022

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